1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid

C15H20O2 — CID 117336685

IUPAC1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)cc(C)c1C
InChIInChI=1S/C15H20O2/c1-10-8-13(9-11(2)12(10)3)15(14(16)17)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySFJSQKZJHZLIME-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.51
Rot. Bonds2

About 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid

1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117336685) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117336685
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCCC2)cc(C)c1C
InChIInChI=1S/C15H20O2/c1-10-8-13(9-11(2)12(10)3)15(14(16)17)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeySFJSQKZJHZLIME-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1-carboxycyclohexyl)-2,3-dimethylbenzoic acid
CID 117442429
1-[3-(dimethylamino)-4,5-dimethylphenyl]cyclopentane-1-carboxylic acid
CID 117114182
1-(3,4-dihydroxy-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344786
1-(3-methyl-4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117453832
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117458909
1-(3-bromo-5-hydroxy-4-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481833
1-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]cyclohexane-1-carboxylic acid
CID 117457683
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(2,3,5-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117311256
1-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxylic acid
CID 82285493
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid (CID 117336685) is 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCCC2)cc(C)c1C.
What is the InChIKey of 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is SFJSQKZJHZLIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-8-13(9-11(2)12(10)3)15(14(16)17)6-4-5-7-15/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid?
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117336685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).